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DocumentationIdentifier: MM86342
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM86342 |
| SMILES |
CNCCC(C)CNC=O
|
| InChIKey |
XJJGPDRTWXXDJC-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155746
Similarity: 0.9394
Similarity to MM155746
| Tanimoto metric | 0.9394 |
|---|---|
| Cosine metric | 0.9692 |
| Dice metric | 0.9688 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92792
Similarity: 0.9118
Similarity to MM92792
| Tanimoto metric | 0.9118 |
|---|---|
| Cosine metric | 0.954 |
| Dice metric | 0.9538 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362109
Similarity: 0.8421
Similarity to MM362109
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9143 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+575 more
